@<TRIPOS>MOLECULE
BindingDB_11390
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4227    4.1774   14.6061  C     
2    C        -3.5586    5.2420   13.7732  C     
3    N        -4.7875    5.6566   13.3223  N     
4    C        -5.0119    6.1403   12.0526  C     
5    C        -5.6329    7.3965   11.8612  C     
6    C        -5.8788    7.8957   10.5706  C     
7    C        -5.5213    7.1357    9.4473  C     
8    C        -4.9166    5.8770    9.6147  C     
9    C        -4.6651    5.3823   10.9109  C     
10   O        -4.5711    5.1677    8.5148  O     
11   S        -6.1694    5.4161   14.2750  S     
12   O        -6.4354    6.5606   15.3446  O     
13   O        -7.4624    5.0597   13.4194  O     
14   C        -4.4807    3.4926   15.1911  C     
15   C        -5.7848    3.9855   15.1412  C     
16   C        -4.3828    2.2864   15.9186  C     
17   C        -5.5951    1.8322   16.4503  C     
18   S        -6.8248    2.9487   16.0200  S     
19   N        -7.5123    0.2521   17.7816  N     
20   S        -5.9101    0.3675   17.3077  S     
21   O        -5.6987   -0.8534   16.3163  O     
22   O        -4.9803    0.1211   18.5708  O     
23   C        -2.3494    5.9697   13.3432  C     
24   C        -1.3807    8.2032   15.6090  C     
25   C        -2.6931    8.0300   14.8058  C     
26   C        -1.3783    8.2027   12.7191  C     
27   C        -0.0928    8.3189   13.5770  C     
28   N        -2.4736    7.4678   13.4307  N     
29   O        -0.3959    8.9270   14.8468  O     
30   H        -2.5102    3.8518   14.8318  H     
31   H        -5.8986    7.9626   12.6665  H     
32   H        -6.3252    8.8082   10.4513  H     
33   H        -5.7046    7.4982    8.5094  H     
34   H        -4.2285    4.4634   11.0190  H     
35   H        -5.1895    4.4113    8.4680  H     
36   H        -3.5057    1.7746   16.0395  H     
37   H        -8.1576   -0.1333   17.1665  H     
38   H        -7.8205    0.7876   18.5307  H     
39   H        -1.4589    5.6606   13.8972  H     
40   H        -2.1770    5.6797   12.3039  H     
41   H        -1.5925    8.7770   16.5107  H     
42   H        -0.9967    7.2260   15.9154  H     
43   H        -3.3939    7.4250   15.3886  H     
44   H        -3.1488    9.0191   14.6917  H     
45   H        -1.7292    9.2126   12.4828  H     
46   H        -1.1323    7.7280   11.7665  H     
47   H         0.3594    7.3347   13.7278  H     
48   H         0.6321    8.9469   13.0575  H     
49   H        -3.3216    7.7028   12.9147  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    2   23 1
     5    3    4 1
     6    3   11 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 2
    15   11   13 2
    16   11   15 1
    17   14   15 2
    18   14   16 1
    19   15   18 1
    20   16   17 2
    21   17   18 1
    22   17   20 1
    23   19   20 am
    24   20   21 2
    25   20   22 2
    26   23   28 1
    27   24   25 1
    28   24   29 1
    29   25   28 1
    30   26   27 1
    31   26   28 1
    32   27   29 1
    33    1   30 1
    34    5   31 1
    35    6   32 1
    36    7   33 1
    37    9   34 1
    38   10   35 1
    39   16   36 1
    40   19   37 1
    41   19   38 1
    42   23   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9764
  Crash		| -4.1037
  Polar		| 2.7349
  FragIndex	| 1
  FragRMSD	| 1.481